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Falconet
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Re: SCC Project starts a new phase in their quest for curing childhood cancers

There were 3 drug docking programs used for the fightAIDS@home project: Autodock, VINA, and BEDAM. The first 2 of these were developed in-house at Scripps, while BEDAM was developed elsewhere. I gather that each gave different results, and in general they gave too many false positives. BEDAM is very CPU-intensive, and was only used for a limited selection of the most promising drug leads from the other 2 programs.

Any or all of these could have been used for the earlier phases of SCC, but VINA was the chosen one, probably because it ran fastest.
VINA could also have been chosen for Open Pandemics (OPN), but the current, upgraded, verson of Autodock (Autodock4) is being used instead. The upgrade has enabled the program to model covalent bonding, which could not be done by the original Autodock or presumably by VINA. Additionally, a GPU version of Autodock is now in use and this overcomes the disadvantage of Autodock running more slowly than VINA, by a vast margin.

Has Autodock4 for CPU and/or GPU been trialled for SCC, and are there any plans to do so?


Interesting questions.
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[Apr 4, 2023 10:02:42 AM]   Link   Report threatening or abusive post: please login first  Go to top 
Mad_Max
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Re: SCC Project starts a new phase in their quest for curing childhood cancers

If you have any comments or questions, please leave them in this thread for us to answer. Thank you for your support, patience and understanding.

There is a minor error in your news / announcement:
As of December 2020, 48,000 hours of calculations have been donated to the SCC team by WCG volunteers

It clearly should be years, not hours.
48 000 hrs is a puny amount of calculations - just little above 5 years of CPU time ( 48000/24/365 = 5,47y)

When the project was active on WCG, it was running at pace of several dozen years of CPU time in just one/each calendar day! It is an equivalent of several hundred thousand of CPU cores running 24/7.
[Apr 9, 2023 12:41:34 AM]   Link   Report threatening or abusive post: please login first  Go to top 
Cyclops
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Re: SCC Project starts a new phase in their quest for curing childhood cancers

If you have any comments or questions, please leave them in this thread for us to answer. Thank you for your support, patience and understanding.

There is a minor error in your news / announcement:
As of December 2020, 48,000 hours of calculations have been donated to the SCC team by WCG volunteers

It clearly should be years, not hours.
48 000 hrs is a puny amount of calculations - just little above 5 years of CPU time ( 48000/24/365 = 5,47y)

When the project was active on WCG, it was running at pace of several dozen years of CPU time in just one/each calendar day! It is an equivalent of several hundred thousand of CPU cores running 24/7.

Hi Mad_Max, thanks for catching that, the article been updated to say years as we intended.
[Apr 10, 2023 3:23:20 AM]   Link   Report threatening or abusive post: please login first  Go to top 
Former Member
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Re: SCC Project starts a new phase in their quest for curing childhood cancers

Cyclops what a lot of people want to here is when will work units for SCC be ready to be sent out to the people
[Apr 10, 2023 9:12:32 AM]   Link   Report threatening or abusive post: please login first  Go to top 
Warped@RSA
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Re: SCC Project starts a new phase in their quest for curing childhood cancers

Is there any news about when these work units will be released for crunching?
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[Apr 17, 2023 9:14:53 AM]   Link   Report threatening or abusive post: please login first  Go to top 
Pete Broad
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Re: SCC Project starts a new phase in their quest for curing childhood cancers

There's usually a period of Beta testing for this project before the official launch.

Pete
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Hans Sveen
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Re: SCC Project starts a new phase in their quest for curing childhood cancers

Welcome back SCC!
Just received my first wu since 12/10/ 2020.

This one:
SCC1_0004081_MyoD1-A_7911
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[Edit 1 times, last edit by Hans Sveen at Apr 21, 2023 5:57:02 AM]
[Apr 21, 2023 5:51:31 AM]   Link   Report threatening or abusive post: please login first  Go to top 
bfmorse
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Re: SCC Project starts a new phase in their quest for curing childhood cancers

Cyclops what a lot of people want to here is when will work units for SCC be ready to be sent out to the people
I can’t speak for Cyclops but, I have observed SCC WU’s slowly and quietly released for processing. And ZERO http issues!

Thank you for allowing us to contribute!
[Apr 21, 2023 5:54:23 AM]   Link   Report threatening or abusive post: please login first  Go to top 
adriverhoef
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Re: SCC Project starts a new phase in their quest for curing childhood cancers

[I can’t speak for Cyclops but, I have observed SCC WU’s slowly and quietly released for processing. And ZERO http issues!

That's right. So, while OPNG-workunits are easy to get now, let nobody tell you that releasing OPNG-workunits causes HTTP errors. devilish
(Speaking for myself, of course, welcoming other opinions.)

The last sole HTTP error for me was on 20-Apr-2023 at 11:29:24 UTC and the one before that was on 18-Apr-2023 at 06:55:21 UTC.
[Apr 21, 2023 9:30:58 AM]   Link   Report threatening or abusive post: please login first  Go to top 
Grumpy Swede
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Re: SCC Project starts a new phase in their quest for curing childhood cancers

Very good. I just got my first "new" SCC task, on my slow, Samsung RV-511 Laptop. (at the moment, my only running computer). The price for electricity is more than I'm willing to pay, so I surely do not run my computers 24/7.
[Apr 21, 2023 9:54:12 AM]   Link   Report threatening or abusive post: please login first  Go to top 
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